ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate

C9H10BrNO3S — CID 2225106

IUPACethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H10BrNO3S/c1-2-14-8(12)5-11-9(13)6-3-4-7(10)15-6/h3-4H,2,5H2,1H3,(H,11,13)
InChIKeyOJWBNEFNBGSDGA-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate

ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate (PubChem CID 2225106) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate
PubChem CID2225106
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Nameethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H10BrNO3S/c1-2-14-8(12)5-11-9(13)6-3-4-7(10)15-6/h3-4H,2,5H2,1H3,(H,11,13)
InChIKeyOJWBNEFNBGSDGA-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate (CID 2225106) is ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc(Br)s1.
What is the InChIKey of ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate?
The InChIKey is OJWBNEFNBGSDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-2-14-8(12)5-11-9(13)6-3-4-7(10)15-6/h3-4H,2,5H2,1H3,(H,11,13).
What are the key properties of ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate?
ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate has a molecular weight of 292.15 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromothiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 2225106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).